CID 13517889

169324-82-7

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)NC(CO)C=C
InChI
InChI=1S/C9H17NO3/c1-5-7(6-11)10-8(12)13-9(2,3)4/h5,7,11H,1,6H2,2-4H3,(H,10,12)
InChIKey
HYVYNSIWYIWTCK-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-hydroxybut-3-en-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

187.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 144.0
[M+Na]+ 210.11007 149.4
[M-H]- 186.11357 142.8
[M+NH4]+ 205.15467 163.0
[M+K]+ 226.08401 149.1
[M+H-H2O]+ 170.11811 139.4
[M+HCOO]- 232.11905 164.0
[M+CH3COO]- 246.13470 182.6
[M+Na-2H]- 208.09552 147.4
[M]+ 187.12030 144.6
[M]- 187.12140 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe